3-[1-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(2-fluorophenyl)sulfanyl-5-nitro-benzoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[2-[(2-fluorophenyl)thio]-5-nitrophenyl]-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(2-fluorophenyl)sulfanyl-5-nitrobenzoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-[(2-fluorophenyl)thio]-5-nitro-benzoyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])SC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])SC5=CC=CC=C5F

InChI

InChI=1S/C25H21FN4O4S/c26-19-5-1-4-8-23(19)35-22-10-9-17(30(33)34)15-18(22)24(31)28-13-11-16(12-14-28)29-21-7-3-2-6-20(21)27-25(29)32/h1-10,15-16H,11-14H2,(H,27,32)